3-(4-Methylphenylsulfonamido)phenylboronic Acid Pinacol Ester - CAS 796061-08-0
Catalog: |
BB036382 |
Product Name: |
3-(4-Methylphenylsulfonamido)phenylboronic Acid Pinacol Ester |
CAS: |
796061-08-0 |
Synonyms: |
4-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide; 4-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide |
IUPAC Name: | 4-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide |
Description: | 3-(4-Methylphenylsulfonamido)phenylboronic Acid Pinacol Ester (CAS# 796061-08-0 ) is a useful research chemical. |
Molecular Weight: | 373.27 |
Molecular Formula: | C19H24NO4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C |
InChI: | InChI=1S/C19H24BNO4S/c1-14-9-11-17(12-10-14)26(22,23)21-16-8-6-7-15(13-16)20-24-18(2,3)19(4,5)25-20/h6-13,21H,1-5H3 |
InChI Key: | RGAZOXRZFCGICF-UHFFFAOYSA-N |
Boiling Point: | 509.024 °C at 760 mmHg |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.216 g/cm3 |
Appearance: | White to pink powder or crystals |
MDL: | MFCD05663863 |
LogP: | 4.24880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2018507234-A | SREBP blocker for use in treating liver fibrosis, elevated cholesterol and insulin resistance | 20150304 |
US-10183015-B2 | Heterocyclic compounds and methods of use | 20150304 |
US-2018028518-A1 | Heterocyclic Compounds and Methods of Use | 20150304 |
AU-2014312245-A1 | Heterocyclic compounds and methods of use | 20130828 |
DK-3038622-T3 | Heterocyclic relations and procedures for use | 20130828 |
Complexity: | 577 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 373.1519096 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 373.1519096 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 73 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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